2-[3-[4-(3-ethyl-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-(3-ethyl-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(3-ethyl-5-methyl-phenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-(3-ethyl-5-methylphenyl)-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(3-ethyl-5-methylphenyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(3-ethyl-5-methyl-phenyl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)N2CCN(CC2)CCCSC3=NC=CC(=O)N3

Isomeric SMILES

CCC1=CC(=CC(=C1)C)N2CCN(CC2)CCCSC3=NC=CC(=O)N3

InChI

InChI=1S/C20H28N4OS/c1-3-17-13-16(2)14-18(15-17)24-10-8-23(9-11-24)7-4-12-26-20-21-6-5-19(25)22-20/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,21,22,25)